6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one

C31H37FN6O3 — CID 170344187

IUPAC6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
SMILESCn1c(-c2cc3cccc(OCC4COCCN4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O
InChIInChI=1S/C31H37FN6O3/c1-36-26-11-20-7-9-37(16-22(33)14-32)31(39)24(20)13-25(26)35-30(36)27-12-21-3-2-4-28(29(21)38(27)15-19-5-6-19)41-18-23-17-40-10-8-34-23/h2-4,11-13,19,22-23,34H,5-10,14-18,33H2,1H3
InChIKeyFEATWRKTLFIYKF-UHFFFAOYSA-N
MW560.67 g/mol
LogP3.27
Rot. Bonds9

About 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one

6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one (PubChem CID 170344187) has the molecular formula C31H37FN6O3 and a molecular weight of 560.67 g/mol. Its IUPAC name is 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one.

Molecular Properties

Compound Name6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
PubChem CID170344187
Molecular FormulaC31H37FN6O3
Molecular Weight560.67 g/mol
Exact Mass560.29
IUPAC Name6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
SMILESCn1c(-c2cc3cccc(OCC4COCCN4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O
InChIInChI=1S/C31H37FN6O3/c1-36-26-11-20-7-9-37(16-22(33)14-32)31(39)24(20)13-25(26)35-30(36)27-12-21-3-2-4-28(29(21)38(27)15-19-5-6-19)41-18-23-17-40-10-8-34-23/h2-4,11-13,19,22-23,34H,5-10,14-18,33H2,1H3
InChIKeyFEATWRKTLFIYKF-UHFFFAOYSA-N
XLogP3.27
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.67
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The IUPAC name of 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one (CID 170344187) is 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one.
What is the SMILES notation for 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The canonical SMILES for 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one is Cn1c(-c2cc3cccc(OCC4COCCN4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O.
What is the InChIKey of 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The InChIKey is FEATWRKTLFIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN6O3/c1-36-26-11-20-7-9-37(16-22(33)14-32)31(39)24(20)13-25(26)35-30(36)27-12-21-3-2-4-28(29(21)38(27)15-19-5-6-19)41-18-23-17-40-10-8-34-23/h2-4,11-13,19,22-23,34H,5-10,14-18,33H2,1H3.
What are the key properties of 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one has a molecular weight of 560.67 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 170344187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).